Vitas-M small molecule compound
2-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
Catalog ID
STK349699
SMILES CCC(n1nc(c(c1)[N+](=O)[O-])C(F)(F)F)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C8H8F3N3O4 MW 267.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H8F3N3O4/c1-2-4(7(15)16)13-3-5(14(17)18)6(12-13)8(9,10)11/h3-4H,2H2,1H3,(H,15,16)InChIKey
JIHPLKCSWVVOEC-UHFFFAOYSA-NSynonyms
1006459-45-51006459455
2(4nitro3(trifluoromethyl)1Hpyrazol1yl)butanoicacid
2(4nitro3(trifluoromethyl)pyrazol1yl)butanoicacid
2(4NITRO3(TRIFLUOROMETHYL)PYRAZOLYL)BUTANOICACID
CCC(C(=O)O)N1C=C(C(=N1)C(F)(F)F)(N+)(=O)(O)
CCC(n1nc(c(c1)(N+)(=O)(O))C(F)(F)F)C(=O)O
InChI=1SC8H8F3N3O4c124(7(15)16)1335(14(17)18)6(1213)8(910)11h34H2H21H3(H1516)
MFCD04970066
ZINC000002537839
ZINC000008783276
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